[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-o-toluoylisonipecotic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3C)C

InChI

InChI=1S/C25H30N2O4/c1-4-19-10-7-9-18(3)23(19)26-22(28)16-31-25(30)20-12-14-27(15-13-20)24(29)21-11-6-5-8-17(21)2/h5-11,20H,4,12-16H2,1-3H3,(H,26,28)